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(5E)-5-({[2-(4-acetyl-1-piperazinyl)ethyl]amino}methylene)-1-(4-methoxyphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

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(5E)-5-({[2-(4-acetyl-1-piperazinyl)ethyl]amino}methylene)-1-(4-methoxyphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID KG2RRNroc2Y
InChI InChI=1S/C20H25N5O4S/c1-14(26)24-11-9-23(10-12-24)8-7-21-13-17-18(27)22-20(30)25(19(17)28)15-3-5-16(29-2)6-4-15/h3-6,13,21H,7-12H2,1-2H3,(H,22,27,30)/b17-13+
InChIKey CNOWXWRNRYOXCW-GHRIWEEISA-N
Mol Weight 431.51 g/mol
Molecular Formula C20H25N5O4S
Exact Mass 431.162725 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GtiRKYuvEge
Name (5E)-5-({[2-(4-acetyl-1-piperazinyl)ethyl]amino}methylene)-1-(4-methoxyphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H25N5O4S/c1-14(26)24-11-9-23(10-12-24)8-7-21-13-17-18(27)22-20(30)25(19(17)28)15-3-5-16(29-2)6-4-15/h3-6,13,21H,7-12H2,1-2H3,(H,22,27,30)/b17-13+
InChIKey CNOWXWRNRYOXCW-GHRIWEEISA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8998
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D40184; Labnumber: KKA-0211-2913; SBI_ID: SBI-009001
Synonyms 5-({[2-(4-acetyl-1-piperazinyl)ethyl]amino}methylene)-1-(4-methoxyphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 306 °C